Information card for entry 7251170

Structure parameters

• Chemical name: Levofloxacin hydrate
• Formula: C18 H21 F N3 O4.5
• Calculated formula: C18 H21 F N3 O4.5
• Title of publication: Pressure-Induced Phase Behaviour and Compressibility of the Racemic and Chiral Solid Forms, Ofloxacin and Levofloxacin
• Authors of publication: Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Michael, Hanfland; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 28.753 ± 0.004 Å
• b: 6.79 ± 0.0008 Å
• c: 18.636 ± 0.005 Å
• α: 90°
• β: 113.838 ± 0.011°
• γ: 90°
• Cell volume: 3328 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Cell measurement pressure: 0.29 kPa
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2627
• Weighted residual factors for all reflections included in the refinement: 0.3232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No